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Yan Zhi, Fang Cheng, Wang Fang, Xu Xiao-Hong.First-principles calculations of structural and magnetic properties of SmCo3alloys doped with transition metal elements. Acta Physica Sinica, 2024, 73(3): 037502.doi:10.7498/aps.73.20231436 |
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Yang Hai-Lin, Chen Qi-Li, Gu Xing, Lin Ning.First-principles calculations of O-atom diffusion on fluorinated graphene. Acta Physica Sinica, 2023, 72(1): 016801.doi:10.7498/aps.72.20221630 |
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Wu Hong-Fen, Feng Pan-Jun, Zhang Shuo, Liu Da-Peng, Gao Miao, Yan Xun-Wang.First-principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2022, 71(3): 036801.doi:10.7498/aps.71.20211631 |
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.First principles study of Fe atom adsorbed biphenylene monolayer. Acta Physica Sinica, 2021, (): .doi:10.7498/aps.70.20211631 |
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Liu Zi-Yuan, Pan Jin-Bo, Zhang Yu-Yang, Du Shi-Xuan.First principles calculation of two-dimensional materials at an atomic scale. Acta Physica Sinica, 2021, 70(2): 027301.doi:10.7498/aps.70.20201636 |
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Wang Shao-Xia, Zhao Xu-Cai, Pan Duo-Qiao, Pang Guo-Wang, Liu Chen-Xi, Shi Lei-Qian, Liu Gui-An, Lei Bo-Cheng, Huang Yi-Neng, Zhang Li-Li.First principle study of influence of transition metal (Cr, Mn, Fe, Co) doping on magnetism of TiO2. Acta Physica Sinica, 2020, 69(19): 197101.doi:10.7498/aps.69.20200644 |
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Yin Min, Zhang Min, Lü Jin, Wu Hai-Shun.First-principles study of magnetism of TM@Cu12N12nanoclusters. Acta Physica Sinica, 2019, 68(20): 203102.doi:10.7498/aps.68.20190737 |
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Liu Qi, Guan Peng-Fei.First principle study on atomic structure of La65X35(X=Ni, Al) metallic glasses. Acta Physica Sinica, 2018, 67(17): 178101.doi:10.7498/aps.67.20180992 |
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Hou Qing-Yu, Li Yong, Zhao Chun-Wang.First-principles study of Al-doped and vacancy on the magnetism of ZnO. Acta Physica Sinica, 2017, 66(6): 067202.doi:10.7498/aps.66.067202 |
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Li Cheng-Di, Zhao Jing-Long, Zhong Chong-Gui, Dong Zheng-Chao, Fang Jing-Huai.First-principles study of magnetic ground state of quantum paraelectric EuTiO3 material. Acta Physica Sinica, 2014, 63(8): 087502.doi:10.7498/aps.63.087502 |
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Zhang Zhao-Fu, Geng Zhao-Hui, Wang Peng, Hu Yao-Qiao, Zheng Yu-Fei, Zhou Tie-Ge.Properties of 5d atoms doped boron nitride nanotubes：a first-principles calculation and molecular orbital analysis. Acta Physica Sinica, 2013, 62(24): 246301.doi:10.7498/aps.62.246301 |
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Lin Xue-Ling, Pan Feng-Chun.The magnetism study of N-doped diamond. Acta Physica Sinica, 2013, 62(16): 166102.doi:10.7498/aps.62.166102 |
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Wang Yu-Mei, Pei Hui-Xia, Ding Jun, Wen Li-Wei.First-principles study of magnetism and electronic structureof Sb-containing half-Heusler alloys. Acta Physica Sinica, 2011, 60(4): 047110.doi:10.7498/aps.60.047110 |
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Zhao Kun, Zhang Kun, Wang Jia-Jia, Yu Jin, Wu San-Xie.A first principles study on tetragonal distortion, magnetic property and elastic constants of Pd2 CrAl Heusler alloy. Acta Physica Sinica, 2011, 60(12): 127101.doi:10.7498/aps.60.127101 |
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He Jie, Chen Jun, Wang Xiao-Zhong, Lin Li-Bin.The first principles study on mechanical propertiesof He doped grain boundary of Al. Acta Physica Sinica, 2011, 60(7): 077104.doi:10.7498/aps.60.077104 |
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Gao Tan-Hua, Lu Dao-Ming, Wu Shun-Qing, Zhu Zi-Zhong.First-principles calculations of magnetism of Fe atomic sheet. Acta Physica Sinica, 2011, 60(4): 047502.doi:10.7498/aps.60.047502 |
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Wang Zhi-Gang, Zhang Yang, Wen Yu-Hua, Zhu Zi-Zhong.First-principles calculation of structural stability and electronic properties of ZnO atomic chains. Acta Physica Sinica, 2010, 59(3): 2051-2056.doi:10.7498/aps.59.2051 |
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Lü Quan, Huang Wei-Qi, Wang Xiao-Yun, Meng Xiang-Xiang.The first-principle calculations and analysis on density of states of silion plane (111) formed by nitrogen film. Acta Physica Sinica, 2010, 59(11): 7880-7884.doi:10.7498/aps.59.7880 |
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Liu Li-Hua, Zhang Ying, Lü Guang-Hong, Deng Sheng-Hua, Wang Tian-Min.First-principles study of the effects of Sr segregated on Al grain boundary. Acta Physica Sinica, 2008, 57(7): 4428-4433.doi:10.7498/aps.57.4428 |
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Zhang Jia-Hong, Ma Rong, Liu Su, Liu Mei.First-principles calculations on the superconductivity and magnetism of doping MgCNi3. Acta Physica Sinica, 2006, 55(9): 4816-4821.doi:10.7498/aps.55.4816 |
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